Chemical ID: 4774153

CC1=[N+](c2cc(ccc2C1(C)C)C(F)(F)F)C
Chemical ID:
4774153
Name [?]:
1,2,3,3-tetramethyl-6-(trifluoromethyl)indole
SMILES [?]:
CC1=[N+](c2cc(ccc2C1(C)C)C(F)(F)F)C
InChi [?]:
InChI=1/C13H15F3N/c1-8-12(2,3)10-6-5-9(13(14,15)16)7-11(10)17(8)4/h5-7H,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,11,12,17,7,8,5,2,6,9,4,10,13,14,15,16,3/E:(2,3)(14,15,16)/CRV:17+1/rA:17nCCN+CCCCCCCCCCFFFC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s10;s6;s13;s13;s13;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15F3N+
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-18.868
Area:384.095
Solvation:-28.4704
Coulombic:3.62934
Bond Count [?]
All:18
Single:14
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:242.26
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.2
LogP (Chemaxon):1.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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